5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine

C24H25N5O3S — CID 25003113

IUPAC5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4cccc5ccccc45)CC3)cccc2n1
InChIInChI=1S/C24H25N5O3S/c25-23-22-19(27-24(26)28-23)8-4-9-20(22)32-15-16-11-13-29(14-12-16)33(30,31)21-10-3-6-17-5-1-2-7-18(17)21/h1-10,16H,11-15H2,(H4,25,26,27,28)
InChIKeyRKHHREMVABDTNO-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.43
Rot. Bonds5

About 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine

5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine (PubChem CID 25003113) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine
PubChem CID25003113
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4cccc5ccccc45)CC3)cccc2n1
InChIInChI=1S/C24H25N5O3S/c25-23-22-19(27-24(26)28-23)8-4-9-20(22)32-15-16-11-13-29(14-12-16)33(30,31)21-10-3-6-17-5-1-2-7-18(17)21/h1-10,16H,11-15H2,(H4,25,26,27,28)
InChIKeyRKHHREMVABDTNO-UHFFFAOYSA-N
XLogP3.43
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine (CID 25003113) is 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCN(S(=O)(=O)c4cccc5ccccc45)CC3)cccc2n1.
What is the InChIKey of 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine?
The InChIKey is RKHHREMVABDTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c25-23-22-19(27-24(26)28-23)8-4-9-20(22)32-15-16-11-13-29(14-12-16)33(30,31)21-10-3-6-17-5-1-2-7-18(17)21/h1-10,16H,11-15H2,(H4,25,26,27,28).
What are the key properties of 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine?
5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine has a molecular weight of 463.56 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 25003113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).